7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C33H29BrClN7O4 — CID 155285403

IUPAC7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC1Cn2c(c(C(=O)NCc3ccccc3-n3cncn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C33H29BrClN7O4/c1-20-16-40-29(17-39(20)32(44)21-6-13-26(34)27(35)14-21)30(42(33(40)45)23-7-9-24(10-8-23)46-25-11-12-25)31(43)37-15-22-4-2-3-5-28(22)41-19-36-18-38-41/h2-10,13-14,18-20,25H,11-12,15-17H2,1H3,(H,37,43)
InChIKeyLKBXSAFSHOFCRA-UHFFFAOYSA-N
MW703.00 g/mol
LogP5.15
Rot. Bonds8

About 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285403) has the molecular formula C33H29BrClN7O4 and a molecular weight of 703.00 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285403
Molecular FormulaC33H29BrClN7O4
Molecular Weight703.00 g/mol
Exact Mass701.12
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC1Cn2c(c(C(=O)NCc3ccccc3-n3cncn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C33H29BrClN7O4/c1-20-16-40-29(17-39(20)32(44)21-6-13-26(34)27(35)14-21)30(42(33(40)45)23-7-9-24(10-8-23)46-25-11-12-25)31(43)37-15-22-4-2-3-5-28(22)41-19-36-18-38-41/h2-10,13-14,18-20,25H,11-12,15-17H2,1H3,(H,37,43)
InChIKeyLKBXSAFSHOFCRA-UHFFFAOYSA-N
XLogP5.15
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.00
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Related Compounds

(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165080427
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739163
(6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739271
(6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739234
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739229
(6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739151
(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155641087
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285473
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155302634
(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 167027749
7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165103040
(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165077775

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285403) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC1Cn2c(c(C(=O)NCc3ccccc3-n3cncn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is LKBXSAFSHOFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29BrClN7O4/c1-20-16-40-29(17-39(20)32(44)21-6-13-26(34)27(35)14-21)30(42(33(40)45)23-7-9-24(10-8-23)46-25-11-12-25)31(43)37-15-22-4-2-3-5-28(22)41-19-36-18-38-41/h2-10,13-14,18-20,25H,11-12,15-17H2,1H3,(H,37,43).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 703.00 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).